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{
"id": "mp-182",
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"structure_string": "Sr1 Ga2\n1.0\n2.178442 -3.773172 0.000000\n2.178442 3.773172 0.000000\n0.000000 0.000000 4.824023\nSr Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
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{
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"formula_full": "Mo8 Cl16 O24",
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{
"id": "mp-24231",
"created_at": "2022-09-04T14:41:59.000212Z",
"structure_string": "Ni1 H12 Cl2 O6\n1.0\n3.530826 5.159491 0.000000\n-3.530826 5.159491 0.000000\n0.000000 3.563339 5.629831\nNi H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.735262 0.735262 0.832658 H\n0.264738 0.264738 0.167342 H\n0.816042 0.816042 0.550968 H\n0.183958 0.183958 0.449032 H\n0.672959 0.211194 0.776601 H\n0.788806 0.327041 0.223399 H\n0.327041 0.788806 0.223399 H\n0.211194 0.672959 0.776601 H\n0.414720 0.800971 0.724657 H\n0.800971 0.414720 0.724657 H\n0.199029 0.585280 0.275343 H\n0.585280 0.199029 0.275343 H\n0.725312 0.725312 0.158146 Cl\n0.274688 0.274688 0.841854 Cl\n0.715885 0.715885 0.701634 O\n0.284115 0.284115 0.298366 O\n0.238091 0.832053 0.747115 O\n0.167947 0.761909 0.252885 O\n0.832053 0.238091 0.747115 O\n0.761909 0.167947 0.252885 O\n",
"nsites": 21,
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"elements": [
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{
"id": "mp-28693",
"created_at": "2022-09-04T14:41:55.595625Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.153185 0.000000 0.000000\n0.000000 11.670252 0.000000\n0.000000 0.000000 21.307713\nAl Te I\n12 12 4\ndirect\n0.750000 0.323547 0.871656 Al\n0.250000 0.676453 0.128344 Al\n0.750000 0.823547 0.628344 Al\n0.250000 0.176453 0.371656 Al\n0.250000 0.163923 0.005346 Al\n0.750000 0.836077 0.994654 Al\n0.250000 0.663923 0.494654 Al\n0.750000 0.336077 0.505346 Al\n0.250000 0.044007 0.905018 Al\n0.750000 0.955993 0.094982 Al\n0.250000 0.544007 0.594982 Al\n0.750000 0.455993 0.405018 Al\n0.250000 0.213727 0.818588 Te\n0.750000 0.786273 0.181412 Te\n0.250000 0.713727 0.681412 Te\n0.750000 0.286273 0.318588 Te\n0.750000 0.906424 0.874546 Te\n0.250000 0.093576 0.125454 Te\n0.750000 0.406424 0.625454 Te\n0.250000 0.593576 0.374546 Te\n0.750000 0.313609 0.997039 Te\n0.250000 0.686391 0.002961 Te\n0.750000 0.813609 0.502961 Te\n0.250000 0.186391 0.497039 Te\n0.750000 0.529844 0.835513 I\n0.250000 0.470156 0.164487 I\n0.750000 0.029844 0.664487 I\n0.250000 0.970156 0.335513 I\n",
"nsites": 28,
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"density": 3.7987461729057768,
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"formula_full": "Al12 Te12 I4",
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{
"id": "mp-7603",
"created_at": "2022-09-04T14:41:59.005914Z",
"structure_string": "Li4 Ti2 F12\n1.0\n4.721800 0.000000 0.000000\n0.000000 4.721800 0.000000\n0.000000 0.000000 9.068980\nLi Ti F\n4 2 12\ndirect\n0.000000 0.000000 0.338395 Li\n0.500000 0.500000 0.838395 Li\n0.500000 0.500000 0.161605 Li\n0.000000 0.000000 0.661605 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.215168 0.784832 0.500000 F\n0.692647 0.692647 0.653114 F\n0.284832 0.284832 0.000000 F\n0.715168 0.715168 0.000000 F\n0.784832 0.215168 0.500000 F\n0.192647 0.807353 0.846886 F\n0.307353 0.307353 0.346886 F\n0.692647 0.692647 0.346886 F\n0.807353 0.192647 0.846886 F\n0.807353 0.192647 0.153114 F\n0.192647 0.807353 0.153114 F\n0.307353 0.307353 0.653114 F\n",
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{
"id": "mp-644431",
"created_at": "2022-09-04T14:42:01.271549Z",
"structure_string": "Cd4 P6 Cl2\n1.0\n4.577122 4.058580 0.000000\n-4.577122 4.058580 0.000000\n0.000000 1.404079 7.518626\nCd P Cl\n4 6 2\ndirect\n0.104804 0.409869 0.286711 Cd\n0.590131 0.895196 0.213289 Cd\n0.895196 0.590131 0.713289 Cd\n0.409869 0.104804 0.786711 Cd\n0.660676 0.569004 0.034594 P\n0.430996 0.339324 0.465406 P\n0.339324 0.430996 0.965406 P\n0.569004 0.660676 0.534594 P\n0.695218 0.304782 0.250000 P\n0.304782 0.695218 0.750000 P\n0.138678 0.861322 0.250000 Cl\n0.861322 0.138678 0.750000 Cl\n",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:41:55.617116Z",
"structure_string": "K1 Ca12 Si4 S2 O26 F1\n1.0\n14.037313 -3.623649 0.000000\n14.037313 3.623649 0.000000\n13.101890 0.000000 6.206246\nK Ca Si S O F\n1 12 4 2 26 1\ndirect\n0.000000 0.000000 0.000000 K\n0.083123 0.555780 0.555780 Ca\n0.224895 0.688444 0.688444 Ca\n0.555780 0.555780 0.083123 Ca\n0.688444 0.224895 0.688444 Ca\n0.311556 0.775105 0.311556 Ca\n0.444220 0.916877 0.444220 Ca\n0.555780 0.083123 0.555780 Ca\n0.444220 0.444220 0.916877 Ca\n0.775105 0.311556 0.311556 Ca\n0.688444 0.688444 0.224895 Ca\n0.311556 0.311556 0.775105 Ca\n0.916877 0.444220 0.444220 Ca\n0.795290 0.795290 0.795290 Si\n0.082929 0.082929 0.082929 Si\n0.917071 0.917071 0.917071 Si\n0.204710 0.204710 0.204710 Si\n0.676430 0.676430 0.676430 S\n0.323570 0.323570 0.323570 S\n0.876847 0.876847 0.876847 O\n0.800316 0.800316 0.465498 O\n0.318401 0.318401 0.941251 O\n0.568378 0.568378 0.568378 O\n0.199684 0.534502 0.199684 O\n0.199684 0.199684 0.534502 O\n0.199350 0.820002 0.199350 O\n0.318401 0.941251 0.318401 O\n0.534502 0.199684 0.199684 O\n0.058749 0.681599 0.681599 O\n0.820002 0.199350 0.199350 O\n0.800316 0.465498 0.800316 O\n0.179998 0.800650 0.800650 O\n0.199350 0.199350 0.820002 O\n0.431622 0.431622 0.431622 O\n0.941251 0.318401 0.318401 O\n0.359736 0.359736 0.359736 O\n0.755013 0.755013 0.755013 O\n0.465498 0.800316 0.800316 O\n0.800650 0.800650 0.179998 O\n0.800650 0.179998 0.800650 O\n0.123153 0.123153 0.123153 O\n0.640264 0.640264 0.640264 O\n0.681599 0.681599 0.058749 O\n0.244987 0.244987 0.244987 O\n0.681599 0.058749 0.681599 O\n0.500000 0.500000 0.500000 F\n",
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{
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"structure_string": "Sm10 Pb6\n1.0\n4.630376 -8.020047 0.000000\n4.630376 8.020047 0.000000\n0.000000 0.000000 6.806643\nSm Pb\n10 6\ndirect\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.760576 0.760576 0.250000 Sm\n0.239424 0.000000 0.250000 Sm\n0.000000 0.239424 0.250000 Sm\n0.239424 0.239424 0.750000 Sm\n0.760576 0.000000 0.750000 Sm\n0.000000 0.760576 0.750000 Sm\n0.394562 0.394562 0.250000 Pb\n0.605438 0.000000 0.250000 Pb\n0.000000 0.605438 0.250000 Pb\n0.605438 0.605438 0.750000 Pb\n0.394562 0.000000 0.750000 Pb\n0.000000 0.394562 0.750000 Pb\n",
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{
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{
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}